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Srinivasan S Iyengar

Showing results (1-10 of 61) with videos related to

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The Journal of Chemical Physics|September 17, 2005
Dynamical effects on vibrational and electronic spectra of hydroperoxyl radical water clustersSrinivasan S Iyengar
The Journal of Chemical Physics|June 15, 2007
Further analysis of the dynamically averaged vibrational spectrum for the "magic" protonated 21-water clusterSrinivasan S Iyengar
The Journal of Chemical Physics|November 16, 2010
Quantum wavepacket ab initio molecular dynamics: generalizations using an extended Lagrangian treatment of diabatic states coupled through multireference electronic structureXiaohu Li, Srinivasan S Iyengar
Journal of Chemical Theory and Computation|August 22, 2022
Graph Theoretic Molecular Fragmentation for Multidimensional Potential Energy Surfaces Yield an Adaptive and General Transfer Machine Learning ProtocolXiao Zhu, Srinivasan S Iyengar
The Journal of Physical Chemistry. A|September 27, 2007
Quantum wavepacket ab initio molecular dynamics: an approach for computing dynamically averaged vibrational spectra including critical nuclear quantum effectsIsaiah Sumner, Srinivasan S Iyengar
The Journal of Chemical Physics|August 14, 2008
Combining quantum wavepacket ab initio molecular dynamics with QM/MM and QM/QM techniques: Implementation blending ONIOM and empirical valence bond theoryIsaiah Sumner, Srinivasan S Iyengar
The Journal of Physical Chemistry. A|September 7, 2023
Quantum Computing with DartboardsIshaan Ganti, Srinivasan S Iyengar
Faraday Discussions|October 9, 2019
Challenges in constructing accurate methods for hydrogen transfer reactions in large biological assemblies: rare events sampling for mechanistic discovery and tensor networks for quantum nuclear effectsNicole DeGregorio, Srinivasan S Iyengar
The Journal of Physical Chemistry. A|April 16, 2011
Quantum wavepacket ab initio molecular dynamics for extended systemsXiaohu Li, Srinivasan S Iyengar
Journal of Chemical Theory and Computation|November 18, 2015
Ab Initio Molecular Dynamics Using Recursive, Spatially Separated, Overlapping Model Subsystems Mixed within an ONIOM-Based Fragmentation Energy Extrapolation TechniqueJunjie Li, Srinivasan S Iyengar
Pageof 7

Showing results (1-10 of 61) with videos related to

Sort By:
Pageof 7
The Journal of Chemical Physics|September 17, 2005
Dynamical effects on vibrational and electronic spectra of hydroperoxyl radical water clustersSrinivasan S Iyengar
The Journal of Chemical Physics|June 15, 2007
Further analysis of the dynamically averaged vibrational spectrum for the "magic" protonated 21-water clusterSrinivasan S Iyengar
The Journal of Chemical Physics|November 16, 2010
Quantum wavepacket ab initio molecular dynamics: generalizations using an extended Lagrangian treatment of diabatic states coupled through multireference electronic structureXiaohu Li, Srinivasan S Iyengar
Journal of Chemical Theory and Computation|August 22, 2022
Graph Theoretic Molecular Fragmentation for Multidimensional Potential Energy Surfaces Yield an Adaptive and General Transfer Machine Learning ProtocolXiao Zhu, Srinivasan S Iyengar
The Journal of Physical Chemistry. A|September 27, 2007
Quantum wavepacket ab initio molecular dynamics: an approach for computing dynamically averaged vibrational spectra including critical nuclear quantum effectsIsaiah Sumner, Srinivasan S Iyengar
The Journal of Chemical Physics|August 14, 2008
Combining quantum wavepacket ab initio molecular dynamics with QM/MM and QM/QM techniques: Implementation blending ONIOM and empirical valence bond theoryIsaiah Sumner, Srinivasan S Iyengar
The Journal of Physical Chemistry. A|September 7, 2023
Quantum Computing with DartboardsIshaan Ganti, Srinivasan S Iyengar
Faraday Discussions|October 9, 2019
Challenges in constructing accurate methods for hydrogen transfer reactions in large biological assemblies: rare events sampling for mechanistic discovery and tensor networks for quantum nuclear effectsNicole DeGregorio, Srinivasan S Iyengar
The Journal of Physical Chemistry. A|April 16, 2011
Quantum wavepacket ab initio molecular dynamics for extended systemsXiaohu Li, Srinivasan S Iyengar
Journal of Chemical Theory and Computation|November 18, 2015
Ab Initio Molecular Dynamics Using Recursive, Spatially Separated, Overlapping Model Subsystems Mixed within an ONIOM-Based Fragmentation Energy Extrapolation TechniqueJunjie Li, Srinivasan S Iyengar
Pageof 7